N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C14H19N3S — CID 105120685

IUPACN-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1csnn1
InChIInChI=1S/C14H19N3S/c1-9-5-10(2)12(11(3)6-9)7-13(15-4)14-8-18-17-16-14/h5-6,8,13,15H,7H2,1-4H3
InChIKeyRPWHXZTURJHSKP-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.97
Rot. Bonds4

About N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 105120685) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID105120685
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)c1csnn1
InChIInChI=1S/C14H19N3S/c1-9-5-10(2)12(11(3)6-9)7-13(15-4)14-8-18-17-16-14/h5-6,8,13,15H,7H2,1-4H3
InChIKeyRPWHXZTURJHSKP-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663961
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664052
2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664156
1-(2,5-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674257
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43680864
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681012
1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43685514
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723813
N-(thiadiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726987

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 105120685) is N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)c1csnn1.
What is the InChIKey of N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is RPWHXZTURJHSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-5-10(2)12(11(3)6-9)7-13(15-4)14-8-18-17-16-14/h5-6,8,13,15H,7H2,1-4H3.
What are the key properties of N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 105120685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).